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Sugi Predict / Compounds / SCHEMBL23637173

SCHEMBL23637173

SCHEMBL23637173

CCOCCC(=O)NCCCOc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3CC)n(CCC[C@H]3COc4cc(C(N)=O)cc5nc(NC(=O)c6cc(C)nn6CC)n3c45)c12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.58
▸ CYP3A4 P08684 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21789628 0.94 STING1 (0.61) STING1CYP3A4
SCHEMBL21789720 0.94 STING1 (0.60) STING1CYP3A4
SCHEMBL21789624 0.93 STING1 (0.57) STING1CYP3A4
SCHEMBL21776720 0.92 STING1 (0.61) STING1CYP3A4
SCHEMBL21789623 0.92 STING1 (0.56) STING1
SCHEMBL21776855 0.92 STING1 (0.58) STING1CYP3A4
SCHEMBL21789609 0.92 STING1 (0.61) STING1CYP3A4
SCHEMBL21776719 0.91 STING1 (0.62) STING1
SCHEMBL21789947 0.91 STING1 (0.62) STING1
Hydrochloric Acid SCHEMBL23629566 0.91 STING1 (0.61) STING1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 — — EP disclosed